Detailed information for compound 911326

Basic information

Technical information
  • TDR Targets ID: 911326
  • Name: 1-(4-bromophenyl)-2-[2-(3-hydroxypropylamino) benzimidazol-1-yl]ethanone
  • MW: 388.258 | Formula: C18H18BrN3O2
  • H donors: 2 H acceptors: 3 LogP: 4.18 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCCNc1nc2c(n1CC(=O)c1ccc(cc1)Br)cccc2
  • InChi: 1S/C18H18BrN3O2/c19-14-8-6-13(7-9-14)17(24)12-22-16-5-2-1-4-15(16)21-18(22)20-10-3-11-23/h1-2,4-9,23H,3,10-12H2,(H,20,21)
  • InChiKey: URJZFXOQICTNFE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-bromophenyl)-2-[2-(3-hydroxypropylamino)-1-benzimidazolyl]ethanone
  • EU-0072242
  • ZINC01817155
  • STK041242

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei cdc2-related kinase 1 0.0054 0.0932 0.0249
Loa Loa (eye worm) glutaminase 2 0.033 0.8192 0.8192
Brugia malayi Protein kinase domain containing protein 0.0054 0.0932 0.0932
Schistosoma mansoni transient receptor potential channel 0.0078 0.154 0.154
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0116 0.2562 0.2013
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0448 0.0448
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0116 0.2562 0.2013
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0054 0.0932 0.0249
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.2549 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0413 0.0413
Trypanosoma cruzi cdc2-related kinase 3 0.0054 0.0932 0.0249
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.2243 0.8342
Giardia lamblia Kinase, CMGC GSK 0.0116 0.2562 0.1809
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.2243 0.8342
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.2562 0.1798
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.154 0.154
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0054 0.0932 0.0932
Entamoeba histolytica protein kinase domain containing protein 0.0397 0.9944 0.9938
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0448 0.0448
Schistosoma mansoni serine/threonine protein kinase 0.0399 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0932 0.0932
Giardia lamblia Kinase, CMGC CK2 0.0397 0.9944 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0116 0.2562 0.2227
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Onchocerca volvulus 0.0286 0.7032 1
Echinococcus multilocularis protein kinase shaggy 0.0116 0.2562 0.2562
Plasmodium vivax glutathione reductase, putative 0.0046 0.0701 0.0267
Trypanosoma cruzi casein kinase II, putative 0.0397 0.9944 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0448 0.0448
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.2562 0.1809
Loa Loa (eye worm) hypothetical protein 0.0036 0.0448 0.0448
Entamoeba histolytica casein kinase, putative 0.0397 0.9944 0.9938
Brugia malayi Pre-SET motif family protein 0.0251 0.6118 0.6118
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7032 0.6769
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0116 0.2562 0.2562
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0932 0.0932
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0116 0.2562 0.2562
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0054 0.0932 0.0932
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0116 0.2562 0.2562
Loa Loa (eye worm) hypothetical protein 0.006 0.1084 0.1084
Loa Loa (eye worm) hypothetical protein 0.0074 0.1437 0.1437
Giardia lamblia Kinase, CMGC GSK 0.0116 0.2562 0.1809
Trypanosoma cruzi cdc2-related kinase 3 0.0054 0.0932 0.0249
Echinococcus granulosus transient receptor potential gamma protein 0.0117 0.2585 0.2585
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0044 0.0646 0.0646
Loa Loa (eye worm) hypothetical protein 0.0049 0.079 0.079
Leishmania major casein kinase II, putative 0.0397 0.9944 1
Brugia malayi Casein kinase II, alpha chain 0.0397 0.9944 0.9944
Echinococcus multilocularis cyclin dependent kinase 1 0.0054 0.0932 0.0932
Loa Loa (eye worm) hypothetical protein 0.0041 0.0582 0.0582
Plasmodium vivax glycogen synthase kinase 3, putative 0.0116 0.2562 0.2227
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Toxoplasma gondii CMGC kinase, CK2 family 0.0397 0.9944 1
Echinococcus granulosus cyclin dependent kinase 5 0.0054 0.0932 0.0932
Echinococcus multilocularis transient receptor potential ion channel A 0.0113 0.2482 0.2482
Loa Loa (eye worm) hypothetical protein 0.004 0.0544 0.0544
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.2243 0.8342
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.154 0.154
Brugia malayi Thioredoxin reductase 0.0046 0.0701 0.0701
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0448 0.0448
Echinococcus granulosus casein kinase ii subunit alpha 0.0397 0.9944 0.9944
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0448 0.0448
Plasmodium vivax protein kinase Crk2 0.0054 0.0932 0.051
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0701 0.0267
Entamoeba histolytica protein kinase, putative 0.0116 0.2562 0.1798
Schistosoma mansoni transient receptor potential channel 0.0078 0.154 0.154
Echinococcus multilocularis casein kinase ii subunit alpha 0.0397 0.9944 0.9944
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0397 0.9944 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0932 0.0932
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1084 0.1084
Trypanosoma cruzi cdc2-related kinase 1 0.0054 0.0932 0.0249
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.2549 1
Echinococcus granulosus short transient receptor potential channel 6 0.0078 0.154 0.154
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6118 0.6118
Loa Loa (eye worm) glutaminase 0.033 0.8192 0.8192
Loa Loa (eye worm) hypothetical protein 0.0044 0.0646 0.0646
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.2549 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0116 0.2562 0.2562
Echinococcus multilocularis cyclin dependent kinase 0.0054 0.0932 0.0932
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Brugia malayi glutathione reductase 0.0046 0.0701 0.0701
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1084 0.1084
Echinococcus multilocularis homeodomain interacting protein kinase 3 0.0399 1 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0448 0.0448
Entamoeba histolytica protein kinase domain containing protein 0.0399 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0448 0.0448
Trypanosoma brucei Casein kinase II 0.0397 0.9944 1
Brugia malayi cell division control protein 2 homolog 0.0054 0.0932 0.0932
Toxoplasma gondii thioredoxin reductase 0.0046 0.0701 0.0267
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.2562 0.1798
Echinococcus multilocularis cyclin dependent kinase 5 0.0054 0.0932 0.0932
Plasmodium falciparum casein kinase 2, alpha subunit 0.0397 0.9944 1
Echinococcus multilocularis transient receptor potential gamma protein 0.0117 0.2585 0.2585
Schistosoma mansoni hypothetical protein 0.0041 0.0582 0.0582
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0718 0.0718
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Echinococcus granulosus homeodomain interacting protein kinase 3 0.0399 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0397 0.9944 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.2243 0.8342
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1084 0.1084
Loa Loa (eye worm) CMGC/DYRK/HIPK protein kinase 0.0399 1 1
Echinococcus granulosus transient receptor potential ion channel A 0.0113 0.2482 0.2482
Trichomonas vaginalis glutaminase, putative 0.033 0.8192 0.8056
Onchocerca volvulus 0.0116 0.2562 0.3211
Echinococcus granulosus cyclin dependent kinase 0.0054 0.0932 0.0932
Schistosoma mansoni glutaminase 0.033 0.8192 0.8192
Trypanosoma brucei cdc2-related kinase 3 0.0054 0.0932 0.0249
Plasmodium vivax unspecified product 0.0397 0.9944 1
Trypanosoma brucei protein kinase, putative 0.0116 0.2562 0.2013
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0448 0.0448
Brugia malayi Transient-receptor-potential like protein 0.0044 0.0646 0.0646
Plasmodium falciparum glycogen synthase kinase 3 0.0116 0.2562 0.2013
Loa Loa (eye worm) hypothetical protein 0.0117 0.2585 0.2585
Echinococcus multilocularis cyclin dependent kinase 1 0.0054 0.0932 0.0932
Trichomonas vaginalis CMGC family protein kinase 0.0116 0.2562 0.1809
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0397 0.9944 0.9944
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0718 0.0718
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0054 0.0932 0.0932
Mycobacterium tuberculosis Probable reductase 0.0104 0.2243 0.8342
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0116 0.2562 0.2562
Plasmodium falciparum protein kinase 5 0.0054 0.0932 0.0249
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0054 0.0932 0.0249
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0582 0.0582
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.2243 0.8342
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0054 0.0932 0.051
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.2549 1
Trypanosoma cruzi cdc2-related kinase 1 0.0054 0.0932 0.0249
Echinococcus granulosus protein kinase shaggy 0.0116 0.2562 0.2562
Schistosoma mansoni transient receptor potential channel 0.0117 0.2585 0.2585
Schistosoma mansoni transient receptor potential channel 4 0.0117 0.2585 0.2585
Echinococcus granulosus TRP transient receptor potential channel 0.0044 0.0646 0.0646
Brugia malayi intracellular kinase 0.0116 0.2562 0.2562
Schistosoma mansoni protein kinase 0.0397 0.9944 0.9944
Mycobacterium ulcerans glutaminase 0.033 0.8192 0.5
Loa Loa (eye worm) glutathione reductase 0.0046 0.0701 0.0701
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0701 0.0701
Echinococcus multilocularis short transient receptor potential channel 6 0.0078 0.154 0.154
Brugia malayi glutaminase DH11.1 0.033 0.8192 0.8192
Echinococcus granulosus cyclin dependent kinase 1 0.0054 0.0932 0.0932

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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